null

SMILES: CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1

InChI Key: InChIKey=ZVJWWFYYHLRZLE-VJUQQTGUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446504   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50446504 (CHEMBL3110048) Show SMILES CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(37.57,-37.53,;36.85,-38.89,;35.31,-38.95,;36.07,-37.55,;37.67,-40.19,;39.21,-40.13,;40.02,-41.43,;39.31,-42.78,;40.13,-44.08,;39.45,-45.47,;40.38,-46.7,;41.92,-46.67,;42.71,-47.99,;41.96,-49.34,;42.75,-50.65,;44.29,-50.64,;45.04,-49.29,;44.25,-47.96,;39.49,-47.96,;38.02,-47.51,;36.68,-48.26,;35.35,-47.48,;34.01,-48.24,;32.68,-47.45,;31.34,-48.2,;31.36,-49.74,;29.9,-50.24,;28.98,-49,;27.44,-49.01,;29.88,-47.74,;29.17,-46.38,;27.62,-46.31,;26.85,-44.98,;27.61,-43.64,;26.83,-42.31,;25.29,-42.33,;24.53,-43.66,;25.31,-44.99,;38,-45.97,;36.74,-45.08,;37.78,-42.86,;36.96,-41.55,)| Show InChI InChI=1S/C35H59N7/c1-35(2,3)30-16-14-29(15-17-30)25-42-32(22-27-10-5-4-6-11-27)26-40(34(42)37)20-8-7-13-31-24-39-33(36)41(31)21-18-28-12-9-19-38-23-28/h9,12,19,23,27,29-32,37H,4-8,10-11,13-18,20-22,24-26H2,1-3H3,(H2,36,39)/t29?,30?,31-,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis				J Med Chem 56: 10103-17 (2013) Article DOI: 10.1021/jm401543h BindingDB Entry DOI: 10.7270/Q25D8TBR
					More data for this Ligand-Target Pair